Project name: WIFR1

Chain sequence(s)	A: TGSLYLWIDAHQARVLIGFEEDILIVSEGKMAPFTHDFRKAQQRMPAIPVNIHSMNFTWQAAGQAEYFYEFLSLRSLDKGIMADPTVNVPLLGTTVPHKASVVQVGFPCLGKQQDGVAAFEVDVIVMNSEGNTILKTPQNAIFFKTCQQAECPGGCRNGGFCNERRICECPDGFHGPHCEGT
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:53)

• Minimal score value: -3.4919
• Maximal score value: 2.2938
• Average score: -0.8297
• Total score value: -149.3541

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
33	T	A	-0.5287
34	G	A	-1.2507
35	S	A	-1.4255
36	L	A	0.0000
37	Y	A	-0.0699
38	L	A	0.7030
39	W	A	0.7906
40	I	A	0.0000
41	D	A	-1.5964
42	A	A	-2.5898
43	H	A	-2.2532
44	Q	A	-1.0728
45	A	A	0.0000
46	R	A	-1.7357
47	V	A	0.6830
48	L	A	0.7704
49	I	A	1.1490
50	G	A	0.0384
51	F	A	-0.0647
52	E	A	-2.7605
53	E	A	-3.1434
54	D	A	-2.4116
55	I	A	-0.1146
56	L	A	1.1038
57	I	A	0.9282
58	V	A	0.0000
59	S	A	-0.8645
60	E	A	-2.1673
61	G	A	-1.3440
62	K	A	-1.9027
63	M	A	-0.7431
64	A	A	0.0108
65	P	A	-0.0609
66	F	A	0.5788
67	T	A	0.0000
68	H	A	-1.3264
69	D	A	-1.7639
70	F	A	-2.1594
71	R	A	-3.4551
72	K	A	-3.4919
73	A	A	0.0000
74	Q	A	-2.3268
75	Q	A	-3.1388
76	R	A	-2.9799
77	M	A	-1.0353
78	P	A	-0.2585
79	A	A	0.7663
80	I	A	0.8101
81	P	A	0.0857
82	V	A	-0.3672
83	N	A	-1.1430
84	I	A	0.0000
85	H	A	-0.7718
86	S	A	-0.6264
87	M	A	0.0000
88	N	A	-0.3391
89	F	A	0.4603
90	T	A	0.0000
91	W	A	0.0000
92	Q	A	-0.8299
93	A	A	0.0000
94	A	A	-1.3615
95	G	A	-1.5482
96	Q	A	-1.7001
97	A	A	-1.3602
98	E	A	-1.7382
99	Y	A	-0.6035
100	F	A	0.4649
101	Y	A	0.0000
102	E	A	0.8757
103	F	A	0.0000
104	L	A	1.2749
105	S	A	0.0265
106	L	A	-0.4082
107	R	A	-1.7347
108	S	A	0.0000
109	L	A	-0.2118
110	D	A	-1.1891
111	K	A	-2.1246
112	G	A	-1.5991
113	I	A	-1.4556
114	M	A	0.0000
115	A	A	-0.9696
116	D	A	-1.3523
117	P	A	0.0000
118	T	A	-0.4507
119	V	A	-0.3518
120	N	A	-0.9517
121	V	A	0.3075
122	P	A	0.7488
123	L	A	2.0750
124	L	A	2.2938
125	G	A	1.0679
126	T	A	0.0470
127	V	A	0.0000
128	P	A	-1.0900
129	H	A	-2.2054
130	K	A	-2.1108
131	A	A	-0.8154
132	S	A	-0.1620
133	V	A	0.6724
134	V	A	0.0000
135	Q	A	-0.7925
136	V	A	0.0000
137	G	A	-0.6552
138	F	A	0.0000
139	P	A	-0.1581
140	C	A	0.0000
141	L	A	-0.9898
142	G	A	0.0000
143	K	A	-2.6266
144	Q	A	-2.8449
145	D	A	-2.8829
146	G	A	-1.1868
147	V	A	0.8030
148	A	A	0.0000
149	A	A	0.0000
150	F	A	0.0000
151	E	A	-0.4838
152	V	A	-0.3283
153	D	A	-1.0082
154	V	A	0.1765
155	I	A	0.0109
156	V	A	0.2646
157	M	A	-0.6403
158	N	A	-1.1180
159	S	A	-1.6943
160	E	A	-2.6839
161	G	A	-1.7930
162	N	A	-1.7194
163	T	A	-0.6062
164	I	A	0.1935
165	L	A	-0.4162
166	K	A	-1.5369
167	T	A	-1.2572
168	P	A	-1.6855
169	Q	A	-2.1276
170	N	A	-1.8819
171	A	A	0.0000
172	I	A	0.3930
173	F	A	1.2249
174	F	A	2.0061
175	K	A	0.0000
176	T	A	0.2433
177	C	A	0.0000
178	Q	A	-2.5478
179	Q	A	-3.1572
180	A	A	-2.6773
181	E	A	-2.7304
182	C	A	0.0000
183	P	A	-1.0544
184	G	A	-1.1619
185	G	A	-1.0505
186	C	A	-1.5873
187	R	A	-2.7365
188	N	A	-2.4980
189	G	A	-1.5527
190	G	A	-1.6289
191	F	A	-0.5275
192	C	A	0.0000
193	N	A	-1.5668
194	E	A	-2.1110
195	R	A	-2.5927
196	R	A	-2.4650
197	I	A	-0.1773
198	C	A	-1.1040
199	E	A	-1.5722
200	C	A	-1.7980
201	P	A	-1.7833
202	D	A	-2.1794
203	G	A	-1.6410
204	F	A	-2.0751
205	H	A	-2.3184
206	G	A	-1.5227
207	P	A	-1.3534
208	H	A	-1.8284
209	C	A	0.0000
210	E	A	-2.9297
211	G	A	-1.6466
212	T	A	-1.1019